SCHEMBL7102396

SCHEMBL7102396

CCCC(Br)C(=O)NC(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
MMP3 P08254 2/20 0.45
CA2 P00918 2/20 0.44
CYP1A2 P05177 1/20 0.44
ANPEP P15144 1/20 0.44
CA1 P00915 1/20 0.44
KDM4A O75164 1/20 0.44
MMP8 P22894 2/20 0.44
MMP9 P14780 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7101421 0.85 KMT2A (0.51) POLBKMT2AMEN1TSHRCYP2C9
SCHEMBL7101423 0.85 KMT2A (0.51) POLBKMT2AMEN1TSHRCYP2C9
SCHEMBL7098232 0.84 POLB (0.52) POLBKMT2AMEN1TSHRCYP2C9
SCHEMBL7102221 0.84 POLB (0.49) POLBKMT2AMEN1TSHRCYP2C9
SCHEMBL7102243 0.83 KMT2A (0.55) POLBKMT2AMEN1TSHRCYP2C9
SCHEMBL7098611 0.83 KMT2A (0.55) POLBKMT2AMEN1TSHRCYP2C9
SCHEMBL7098818 0.81 KMT2A (0.52) POLBKMT2AMEN1TSHRCYP2C9
SCHEMBL7098823 0.81 KMT2A (0.52) POLBKMT2AMEN1TSHRCYP2C9
SCHEMBL23775683 0.79 POLB (0.66) POLBKMT2AMEN1TSHRCYP2C9
SCHEMBL7097650 0.78 KMT2A (0.60) KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed